UCSF

ZINC41513099

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.41 6.58 -9.45 1 5 0 63 420.292 3
Hi High (pH 8-9.5) 4.41 7.16 -41.91 0 5 -1 66 419.284 3
Lo Low (pH 4.5-6) 4.41 8.88 -41.11 2 5 1 64 421.3 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )